N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-32-24-13-12-22(33(30,31)28-16-4-2-3-5-17-28)19-23(24)26-25(29)18-20-8-10-21(11-9-20)27-14-6-7-15-27/h6-15,19H,2-5,16-18H2,1H3,(H,26,29)